Stephen D Pickett - GlaxoSmithKline | 人才画像

基本信息

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个人简介

Stephen D Pickett currently works at GlaxoSmithKline. Stephen does research in Chemoinformatics applied to drug discovery. His most recent publication is 'Nuisance Compounds, PAINS Filters, and Dark Chemical Matter in the GSK HTS Collection'.

研究兴趣

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Bbselect - an Open-Source Tool for Performing a 3D Pharmacophore-Driven Diverse Selection of R-Groups

Francesco Rianjongdee,David Palmer,Stephen D. Pickett,Peter Pogany,Nicholas C. O. Tomkinson,Darren V. S. Green

Journal of Chemical Information and Modelingno. 12 (2024): 4687-4699

引用0浏览0WOSEI引用

Blinded Predictions and Post Hoc Analysis of the Second Solubility Challenge Data: Exploring Training Data and Feature Set Selection for Machine and Deep Learning Models

Jonathan G. M. Conn, James W. Carter,Justin J. A. Conn,Vigneshwari Subramanian,Andrew Baxter,Ola Engkvist,Antonio Llinas,Ekaterina L. Ratkova,Stephen D. Pickett,James L. McDonagh,David S. Palmer

JOURNAL OF CHEMICAL INFORMATION AND MODELING (2023)

引用2浏览0WOSEI引用

MELLODDY: Cross Pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR Without Compromising Proprietary Information

JOURNAL OF CHEMICAL INFORMATION AND MODELINGno. 7 (2023): 2331-2344

引用0浏览0WOSEI引用

Free Energy Perturbation Calculations of Tetrahydroquinolines Complexed to the First Bromodomain of BRD4

Arnaldo F. Silva,Ellen E. Guest,Bruno N. Falcone,Stephen D. Pickett,David M. Rogers,Jonathan D. Hirst

MOLECULAR PHYSICS（2023）

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Chemical Annotation Score – A novel distance metric with application in de novo design

Baptiste Canault,Peter Pogány,Stephen D. Pickett

Research Square (Research Square) (2022)

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Alchemical Free Energy Methods Applied to Complexes of the First Bromodomain of BRD4

Ellen E. Guest,Luis F. Cervantes,Stephen D. Pickett,Charles L. Brooks,Jonathan D. Hirst

Journal of Chemical Information and Modeling（2022）

引用7浏览0EIWOS引用

Structural Variation of Protein-Ligand Complexes of the First Bromodomain of BRD4

Ellen E. Guest,Stephen D. Pickett,Jonathan D. Hirst

Organic & Biomolecular Chemistry（2021）

引用6浏览0WOS引用

Structural Variation of BRD4-BD1 Complexes

Ellen Guest,Stephen Pickett,Jonathan Hirst

ChemRxiv（2021）

引用0浏览0引用

A Turing Test for Molecular Generators

Jacob T. Bush,Peter Pogany,Stephen D. Pickett, Mike Barker,Andrew Baxter,Sebastien Campos,Anthony W. J. Cooper, David Hirst,Graham Inglis, Alan Nadin,Vipulkumar K. Patel,Darren Poole,John Pritchard,Yoshiaki Washio,Gemma White,Darren V. S. Green

Journal of medicinal chemistry（2020）

引用24浏览0WOS引用

Guidelines for Recurrent Neural Network Transfer Learning-Based Molecular Generation of Focused Libraries

Silvia Amabilino,Peter Pogany,Stephen D. Pickett,Darren V. S. Green

Journal of Chemical Information and Modeling（2020）

引用38浏览0WOSEI引用

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